Geometry & MOs

Info

ID:	327601
PubChem CID:	126690478
Reduced:	N2O3C7H10 (1)
Stoich.:	A2B3C7D10 (1)
Weight, g/mol:	710.260371
ΔH_f, kcal/mol:	-74.85
Dipole, Da:	1.12
IP(EA), eV:	-9.26(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[2-hydroxyethyl-[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]-2-methylbenzoyl]amino]methyl]phenyl] 4-(4-methylphenyl)benzoate

Drug info:

PubChemData

Smile

CONC1=NC=C(C=C1)C(O)O

DOS

IR

Vibrations